N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide

C16H16ClFN2O — CID 87757101

IUPACN-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(F)cnc2Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-16(2,3)10-4-6-12(7-5-10)20-15(21)13-8-11(18)9-19-14(13)17/h4-9H,1-3H3,(H,20,21)
InChIKeyTUIMHAITDZQQLU-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.42
Rot. Bonds2

About N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide

N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide (PubChem CID 87757101) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
PubChem CID87757101
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(F)cnc2Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-16(2,3)10-4-6-12(7-5-10)20-15(21)13-8-11(18)9-19-14(13)17/h4-9H,1-3H3,(H,20,21)
InChIKeyTUIMHAITDZQQLU-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
N-[(4-tert-butylphenyl)methyl]-2-chloro-5-fluoropyridine-3-carboxamide
CID 141112044
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
CID 114034323
N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114034261
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 103891962
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
2-chloro-5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 114034241

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide (CID 87757101) is N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cc(F)cnc2Cl)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
The InChIKey is TUIMHAITDZQQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-16(2,3)10-4-6-12(7-5-10)20-15(21)13-8-11(18)9-19-14(13)17/h4-9H,1-3H3,(H,20,21).
What are the key properties of N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide has a molecular weight of 306.77 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 87757101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).